Crystal structure and Hirshfeld surface analysis of 4-bromo-2-chlorophenyl (E)-3-[4-(undecyloxy)phenyl]acrylate
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Acta Crystallographica E: Crystallographic Communications
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Abstract
In the title compound, C26H32BrClO3, the dihedral angle between the 4-bromo-2-chlorophenyl ring and the aromatic ring of (alkyloxy)phenyl moiety is found to be 77.21 (2)°. The torsion angle associated with the ester moiety is 173.2 (2)° which is anti-periplanar. In the crystal, intermolecular C—H⋯O hydrogen bonding links the molecules into cyclic hydrogen-bonded inversion dimers with R22(10) motifs. The molecular structure is associated with an inversion centre and connected through two symmetrical C—H⋯O interactions, forming R22(10) inversion dimer motif. The packing is further consolidated by C—H⋯π and C—Cl⋯π interactions. Hirshfeld surface analysis showed that the most significant contributions are from H⋯H (54.0%), C⋯H/H⋯C (15.2%), Br⋯H/H⋯Br (10.9%), O⋯H/H⋯O (7.8%) and Cl⋯H/H⋯Cl (2.6%) contacts.
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Acta Crystallographica E: Crystallographic Communications, 2025, Vol. 81 (9), p836-839
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© The Authors 2025

